ethyl 4-[(4-methyl-6-morpholin-4-yl-5-nitro-pyrimidin-2-yl)amino]benzoate

Systemtic Name: ethyl 4-[(4-methyl-6-morpholin-4-yl-5-nitro-pyrimidin-2-yl)amino]benzoate Openeye Name: ethyl 4-[(4-methyl-6-morpholino-5-nitro-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[[4-methyl-6-(4-morpholinyl)-5-nitro-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-6-morpholin-4-yl-5-nitropyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(4-methyl-6-morpholino-5-nitro-pyrimidin-2-yl)amino]benzoic acid ethyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N5O5/c1-3-28-17(24)13-4-6-14(7-5-13)20-18-19-12(2)15(23(25)26)16(21-18)22-8-10-27-11-9-22/h4-7H,3,8-11H2,1-2H3,(H,19,20,21)